N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(2-pyridylmethyl)propanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(phenylthio)-N-(2-pyridinylmethyl)propanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(phenylthio)-N-(2-pyridylmethyl)propionamide Formula: C22H18ClN3OS2 MolecularWeight: 439.98082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C22H18ClN3OS2/c23-16-9-10-19-20(14-16)29-22(25-19)26(15-17-6-4-5-12-24-17)21(27)11-13-28-18-7-2-1-3-8-18/h1-10,12,14H,11,13,15H2